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Ligand · 5HU

5HU · 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate

5HU, 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate (C10 H15 N2 O9 P, 338.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
5HU
Formula
C10 H15 N2 O9 P
Class
ligand
Structures
7
PDB entries
5

Binding sites

5HU in 7 structures; the first of them:

  • 1MRS · Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with 5-CH2OH… · 5HU A217 · binds ASP9, PHE36, PRO37, TYR39, LEU52, PHE70, ARG74, ARG95 and 8 more
  • 7JXF · E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog · 5HU A301 · binds ARG21, TRP80, TYR94, CYS146, HIS147, GLN165, ARG166, SER167 and 8 more
  • 8QHQ · Crystal structure of human DNPH1 bound to hmdUMP · 5HU A201 · binds PHE25, CYS26, GLY27, SER28, ILE29, ARG30, GLY31, HIS56 and 10 more
  • 8RPS · Crystal structure of human DNPH1 mutant- D80N bound to 5hmdUMP · 5HU C201 · binds TYR24, CYS26, GLY27, SER28, ILE29, ARG30, GLY31, GLU55 and 7 more
  • 1MRS · Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with 5-CH2OH… · 5HU A217 · binds ASP9, PHE36, PRO37, TYR39, LEU52, PHE70, ARG74, ARG95 and 8 more
  • 4EA5 · Structure of the glycoslyase domain of MBD4 bound to a 5HMU containing DNA · 5HU C7 · binds LEU466, ASN467, ARG468, THR469, DG6
  • 7JXF · E. COLI tsase complex with a bi-substrate reaction intermediate diastereomer analog · 5HU A301 · binds ARG21, TRP80, TYR94, CYS146, HIS147, GLN165, ARG166, SER167 and 9 more

Residues it binds most

GLY 10, SER 12, ARG 13, ILE 8, VAL 8, TYR 5, CYS 10, LEU 11, PHE 9, HIS 8 (residue and the binding sites it lines).

Found with

  • VNM · (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5, 6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl) amino]benzoyl}amino)pentanedioic acid (non-preferred name)
  • MG · Magnesium ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • VMV · N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
  • EDO · 1,2-ethanediol

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